SCHEMBL4157657

SCHEMBL4157657

CNC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TYK2 P29597 2/20 0.52
HPGD P15428 1/20 0.52
JAK2 O60674 1/20 0.52
CYP3A4 P08684 1/20 0.52
JAK1 P23458 1/20 0.52
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
TAS1R2 Q8TE23 3/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
ABL1 P00519 1/20 0.47
MAPT P10636 1/20 0.47
GALK1 P51570 1/20 0.47
BLM P54132 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3780962 0.88 DOT1L (0.50) DOT1LALDH1A1TYK2HPGDJAK2
SCHEMBL7457606 0.86 JAK1 (0.58) DOT1LALDH1A1TYK2HPGDJAK2
SCHEMBL14968580 0.86 GAA (0.63) TYK2HPGDJAK2CYP3A4JAK1
SCHEMBL15628897 0.86 TYK2 (0.61) DOT1LALDH1A1TYK2HPGDJAK2
SCHEMBL7457599 0.83 KDM4E (0.47) DOT1LALDH1A1HPGDRAB9AGAA
SCHEMBL20275217 0.83 ALDH1A1 (0.50) DOT1LALDH1A1TYK2HPGDJAK2
SCHEMBL6428937 0.83 DOT1L (0.50) DOT1LALDH1A1TYK2HPGDJAK2
SCHEMBL8857056 0.83 GAA (0.53) DOT1LALDH1A1TYK2HPGDJAK2
SCHEMBL29971273 0.82 CYP2A6 (0.47) DOT1LALDH1A1HPGDRAB9AKDM4E
SCHEMBL20275216 0.82 ALDH1A1 (0.46) DOT1LALDH1A1TYK2HPGDJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-08-13 US disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-02-19 US disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-06-28 US disclosed
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
EP-2846794-B1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-01 EP disclosed
US-9802958-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease LYCERA CORPORATION (US) 2017-10-31 US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 US disclosed
WO-2013110681-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234441-A1 NOVEL COMPOUNDS LTB4R2, TSLP, LTB4R DOT1L 4470/4885ALDH1A1 615/4885TYK2 1543/4885
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA DOT1L 3218/4885ALDH1A1 1640/4885TYK2 350/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 DOT1L 1113/4885ALDH1A1 3626/4885TYK2 1480/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA DOT1L 3218/4885ALDH1A1 1640/4885TYK2 350/4885
US-20130079383-A1 Lipid Compounds Targeting VLA-4 LPAR4, ASGR1, VCAM1 DOT1L 2302/4885ALDH1A1 997/4885TYK2 3710/4885
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB DOT1L 2795/4885ALDH1A1 224/4885TYK2 566/4885
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORA, RORB DOT1L 3160/4885ALDH1A1 322/4885TYK2 521/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 DOT1L 136/4885ALDH1A1 1506/4885TYK2 60/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.